Basic information
- CAS
68516-31-4- Standard SMILES
CCCCCCCCCCCCCCCCOC(=O)CCCCl- InChIKey
AIPUZHUOTILFRS-UHFFFAOYSA-N- Molecular formula
- C20H39ClO2
- Average molar mass
- 347 g/mol
- Monoisotopic mass
- 346.2638582
Names & identifiers
- Preferred name
- Hexadecyl 4-chlorobutyrate
- IUPAC
- hexadecyl 4-chlorobutanoate
- English name
- hexadecyl 4-chlorobutyrate
- Molecular formula
- C20H39ClO2
- Molecular weight
- 346.97546
Names & synonyms
Hexadecyl 4-chlorobutanoateHexadecyl 4-chlorobutyrate8J3U89R5DEButanoic acid, 4-chloro-, hexadecyl esterDTXSID2071576RefChem:145977DTXCID2046042271-145-7AIPUZHUOTILFRS-UHFFFAOYSA-N68516-31-4EINECS 271-145-7UNII-8J3U89R5DE
Show more names
4-Chlorobutanoic acid hexadecyl ester
Butanoic acid, 4-chloro, hexadecyl esterNS00036619
Database identifiers
- CAS
68516-31-4- PubChem CID
- 110401
- DTXSID
DTXSID2071576- UNII
- 8J3U89R5DE
- EC Number
- 271-145-7
- Nikkaji
- J332.463J
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- FDA UNII
- 8 J3U89R5DE · 8J3U89R5DE
- EPA Substance Registry System
- 4 · Hexadecyl 4-chlorobutyrate (68516-31-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanoic acid, 4-chloro-, hexadecyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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